N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide

C18H33N3O4 — CID 54645577

IUPACN-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide
SMILESCN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO
InChIInChI=1S/C18H33N3O4/c1-21(2)11-17(23)20-15-8-7-14(25-16(15)12-22)9-10-19-18(24)13-5-3-4-6-13/h13-16,22H,3-12H2,1-2H3,(H,19,24)(H,20,23)/t14-,15+,16+/m1/s1
InChIKeyLVRYKZWFXWGZBN-PMPSAXMXSA-N
MW355.48 g/mol
LogP0.27
Rot. Bonds8

About N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide

N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide (PubChem CID 54645577) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide
PubChem CID54645577
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC NameN-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide
SMILESCN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO
InChIInChI=1S/C18H33N3O4/c1-21(2)11-17(23)20-15-8-7-14(25-16(15)12-22)9-10-19-18(24)13-5-3-4-6-13/h13-16,22H,3-12H2,1-2H3,(H,19,24)(H,20,23)/t14-,15+,16+/m1/s1
InChIKeyLVRYKZWFXWGZBN-PMPSAXMXSA-N
XLogP0.27
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide (CID 54645577) is N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide is CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO.
What is the InChIKey of N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is LVRYKZWFXWGZBN-PMPSAXMXSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-21(2)11-17(23)20-15-8-7-14(25-16(15)12-22)9-10-19-18(24)13-5-3-4-6-13/h13-16,22H,3-12H2,1-2H3,(H,19,24)(H,20,23)/t14-,15+,16+/m1/s1.
What are the key properties of N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide?
N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 355.48 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5S,6R)-5-[[2-(dimethylamino)acetyl]amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 54645577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).